ethane;3-methoxycyclopentan-1-one

C10H22O2 — CID 54292408

IUPACethane;3-methoxycyclopentan-1-one
SMILESCC.CC.COC1CCC(=O)C1
InChIInChI=1S/C6H10O2.2C2H6/c1-8-6-3-2-5(7)4-6;2*1-2/h6H,2-4H2,1H3;2*1-2H3
InChIKeyRYKXFADJRUUNEH-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.81
Rot. Bonds1

About ethane;3-methoxycyclopentan-1-one

ethane;3-methoxycyclopentan-1-one (PubChem CID 54292408) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is ethane;3-methoxycyclopentan-1-one.

Molecular Properties

Compound Nameethane;3-methoxycyclopentan-1-one
PubChem CID54292408
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Nameethane;3-methoxycyclopentan-1-one
SMILESCC.CC.COC1CCC(=O)C1
InChIInChI=1S/C6H10O2.2C2H6/c1-8-6-3-2-5(7)4-6;2*1-2/h6H,2-4H2,1H3;2*1-2H3
InChIKeyRYKXFADJRUUNEH-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxycyclopentan-1-one?
The IUPAC name of ethane;3-methoxycyclopentan-1-one (CID 54292408) is ethane;3-methoxycyclopentan-1-one.
What is the SMILES notation for ethane;3-methoxycyclopentan-1-one?
The canonical SMILES for ethane;3-methoxycyclopentan-1-one is CC.CC.COC1CCC(=O)C1.
What is the InChIKey of ethane;3-methoxycyclopentan-1-one?
The InChIKey is RYKXFADJRUUNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.2C2H6/c1-8-6-3-2-5(7)4-6;2*1-2/h6H,2-4H2,1H3;2*1-2H3.
What are the key properties of ethane;3-methoxycyclopentan-1-one?
ethane;3-methoxycyclopentan-1-one has a molecular weight of 174.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxycyclopentan-1-one is sourced from PubChem (CID 54292408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).